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doi: 10.1016/j.bbadis.2021.166265 69 ZaarourRFAzakirBHajamEYNawaflehHZeinelabdinNAEngelsenASTet al

Materials and methods Theoretical calculations Geometric optimization of vanillic (VA), isovanillic (isoVA) and o -vanillic acid ( o -VA) molecules and radicals and anions was performed using the DFT method (B3LYP/6-311 + + G(d, p) 38 using water as a solvent (CPCM computational model)